AG001SC9

1613191-73-3 | 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, 2-propen-1-yl ester

AG001SC9

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CAS Number	1613191-73-3
Catalog Number	AG001SC9(AGN-PC-0WANCK)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, 2-propen-1-yl ester
IUPAC Name	prop-2-enyl 3,5-diamino-1H-pyrazole-4-carboxylate
InChI	InChI=1S/C7H10N4O2/c1-2-3-13-7(12)4-5(8)10-11-6(4)9/h2H,1,3H2,(H5,8,9,10,11)
InChI Key	QPTWDVFFLRWIAM-UHFFFAOYSA-N
MDL Number	MFCD27996731
Molecular Formula	C7H10N4O2
Molecular Weight	182.1799
SMILES	O=C(C1=C(N)NN=C1N)OCC=C
Synonyms	Allyl 3,5-diamino-1H-pyrazole-4-carboxylate, 1613191-73-3, AK150505, SCHEMBL15770112, QPTWDVFFLRWIAM-UHFFFAOYSA-N, KS-00000S7M, MFCD27996731, ZINC98086053, AKOS022189943, SS-4915, DA-43772, OR311292, AJ-138509, ST2406628, FT-0733261, prop-2-en-1-yl 3,5-diamino-1H-pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, 2-propen-1-yl ester,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.08g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	182.183g/mol
Monoisotopic Mass	182.08g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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